Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STK251531
SMILES CCn1c(SCC(=O)N2CCc3c(C2)cccc3)nnc1c1ccc2c(c1)OCO2
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-2-26-21(16-7-8-18-19(11-16)29-14-28-18)23-24-22(26)30-13-20(27)25-10-9-15-5-3-4-6-17(15)12-25/h3-8,11H,2,9-10,12-14H2,1H3InChIKey
PWAIPFBKRKWPRB-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4ethyl124triazol3yl)sulfanyl)1(34dihydro1Hisoquinolin2yl)ethanone
2((5(13benzodioxol5yl)4ethyl4H124triazol3yl)sulfanyl)1(34dihydroisoquinolin2(1H)yl)ethanone
2(5BENZO(13)DIOXOL5YL4ETHYL4H(124)TRIAZOL3YLSULFANYL)1(34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC5=C(C=C4)OCO5
InChI=1SC22H22N4O3Sc122621(16781819(1116)29142818)232422(26)301320(27)2510915534617(15)1225h3811H29101214H21H3
MFCD08684920
ZINC000009304009
ZINC09304009
ZINC9304009
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